Execution Time2.40s

Test: UNRES_M_DOCK_cluster (Passed)
Build: devel Linux-ifort-MPI-DFA_no5D NEWCORR (dell15) on 2020-06-09 04:54:44
Repository revision: 373aa6f0a2f16a8dda57c0c8a42259d57303f6f9


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Test output
CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 869665504 arg vs 97 in file********** Program terminated normally.
********** Program terminated normally.
THERE ARE    5 FAMILIES OF CONFORMATIONS
wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY   7.98111E+01 AVE RMSD 1.75
wham_T280K_0001.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.25687E+01 RMS    1.68
wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY   8.01917E+01 AVE RMSD 4.54
wham_T280K_0002.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.25695E+01 RMS    4.24
wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY   8.02108E+01 AVE RMSD 8.90
wham_T280K_0003.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.25701E+01 RMS    8.77
wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY   8.05925E+01 AVE RMSD 9.64
wham_T280K_0004.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.25782E+01 RMS   10.85
wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY   8.10552E+01 AVE RMSD 7.43
wham_T280K_0005.pdb:REMARK 2wfu UNRES-Dock      ENERGY     8.26233E+01 RMS    6.68